1,9,10-tribromoanthracene

C14H7Br3 — CID 151469472

IUPAC1,9,10-tribromoanthracene
SMILESBrc1c2ccccc2c(Br)c2c(Br)cccc12
InChIInChI=1S/C14H7Br3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChIKeyPKDSCRDGUGRJHE-UHFFFAOYSA-N
MW414.92 g/mol
LogP6.28
Rot. Bonds

About 1,9,10-tribromoanthracene

1,9,10-tribromoanthracene (PubChem CID 151469472) has the molecular formula C14H7Br3 and a molecular weight of 414.92 g/mol. Its IUPAC name is 1,9,10-tribromoanthracene.

Molecular Properties

Compound Name1,9,10-tribromoanthracene
PubChem CID151469472
Molecular FormulaC14H7Br3
Molecular Weight414.92 g/mol
Exact Mass411.81
IUPAC Name1,9,10-tribromoanthracene
SMILESBrc1c2ccccc2c(Br)c2c(Br)cccc12
InChIInChI=1S/C14H7Br3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChIKeyPKDSCRDGUGRJHE-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
21-bromohexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(25),2,4,6,8,10,12,14(26),15,17,19,21,23-tridecaene
CID 170265949
(9,10-dibromoanthracen-1-yl)oxyboronic acid
CID 174867907
O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine
CID 157143740
CID 90071189
CID 90071189
8-bromo-15-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 137347301
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1-(2-bromophenyl)triphenylene
CID 134258474
1,4-dibromonaphthalene
CID 162208061
1-bromo-6-methyltriphenylene
CID 151908557
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
3-(2-bromophenyl)fluoranthene
CID 58390376

Frequently Asked Questions

What is the IUPAC name of 1,9,10-tribromoanthracene?
The IUPAC name of 1,9,10-tribromoanthracene (CID 151469472) is 1,9,10-tribromoanthracene.
What is the SMILES notation for 1,9,10-tribromoanthracene?
The canonical SMILES for 1,9,10-tribromoanthracene is Brc1c2ccccc2c(Br)c2c(Br)cccc12.
What is the InChIKey of 1,9,10-tribromoanthracene?
The InChIKey is PKDSCRDGUGRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H.
What are the key properties of 1,9,10-tribromoanthracene?
1,9,10-tribromoanthracene has a molecular weight of 414.92 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,10-tribromoanthracene is sourced from PubChem (CID 151469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).